(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine

C14H17NOS — CID 113386918

IUPAC(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESCc1cc([C@H](C)N)ccc1OCc1cccs1
InChIInChI=1S/C14H17NOS/c1-10-8-12(11(2)15)5-6-14(10)16-9-13-4-3-7-17-13/h3-8,11H,9,15H2,1-2H3/t11-/m0/s1
InChIKeyNPPJKYFFPGSDFD-NSHDSACASA-N
MW247.36 g/mol
LogP3.66
Rot. Bonds4

About (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine

(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine (PubChem CID 113386918) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
PubChem CID113386918
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESCc1cc([C@H](C)N)ccc1OCc1cccs1
InChIInChI=1S/C14H17NOS/c1-10-8-12(11(2)15)5-6-14(10)16-9-13-4-3-7-17-13/h3-8,11H,9,15H2,1-2H3/t11-/m0/s1
InChIKeyNPPJKYFFPGSDFD-NSHDSACASA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 62911577
1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
CID 82092954
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
3-methyl-4-(thiophen-2-ylmethoxy)benzenecarboximidamide
CID 54966518
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
(1R)-1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 63364423
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 103046479

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine (CID 113386918) is (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine is Cc1cc([C@H](C)N)ccc1OCc1cccs1.
What is the InChIKey of (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is NPPJKYFFPGSDFD-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-8-12(11(2)15)5-6-14(10)16-9-13-4-3-7-17-13/h3-8,11H,9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine?
(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 113386918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).